| SpectraBase Spectrum ID |
FrXRfaBer4x |
| Name |
1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.355260022 u |
| Formula |
C27H48O4 |
| InChI |
InChI=1S/C27H48O4/c1-3-4-5-6-7-8-9-10-11-16-21-30-26(28)23-18-13-14-19-24(23)27(29)31-25-20-15-12-17-22(25)2/h22-25H,3-21H2,1-2H3 |
| InChIKey |
XALYPGLCLYRQJH-UHFFFAOYSA-N |
| Molecular Weight |
436.677 g/mol |
| SMILES |
C1(C(CCCC1)C)OC(C1CCCCC1C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968122 |
